Geometry & MOs

Info

ID:	413214
PubChem CID:	135086160
Reduced:	NO6C18H21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	290.09185
ΔH_f, kcal/mol:	-195.01
Dipole, Da:	5.85
IP(EA), eV:	-7.99(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-benzyl-4,4,4-trifluoro-1-phenylbut-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CC2=CC(=C(C(=C2)OC)O)OC)OC

DOS

IR

Vibrations